Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.80 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3328301 | 0.95 | TDP1 (0.89) | TDP1 | |
| Bromide SCHEMBL29057789 | 0.95 | TDP1 (0.89) | TDP1 | |
| SCHEMBL7746404 | 0.95 | — | — | |
| Bromide SCHEMBL7517638 | 0.95 | — | — | |
| Lithium SCHEMBL9301207 | 0.90 | TDP1 (0.80) | TDP1 | |
| SCHEMBL27928984 | 0.89 | TDP1 (1.00) | TDP1 | |
| SCHEMBL1332279 | 0.89 | — | — | |
| SCHEMBL2020 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL23748751 | 0.86 | TDP1 (0.73) | TDP1 | |
| Hydrochloric Acid SCHEMBL28849153 | 0.86 | TDP1 (0.73) | TDP1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6515134-B1 | A production method of an optically active hydroxyethyl pyridine derivative represented by the general formula which comprises using a microorganism-derived carbonyl reducing enzyme or a culture of a microorganism having an ability of | KANEKA CORPORATION (JP) | 2003-02-04 | — | — | US | disclosed |